Analyte Name

Acetyldihydrocodeine

CAS Number

3861-72-1

Molecular Formula

C20 H25 N O4

Molecular Weight

343.417

Measured Value

1 mg/mL

Accurate Mass

343.178

SMILES

COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C

InChI

InChI=1S/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1

IUPAC

[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile